tert-butyl carbamate; ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]thiophene-2-carboxylate

Systemtic Name: tert-butyl carbamate; ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]thiophene-2-carboxylate Openeye Name: tert-butyl carbamate; ethyl 5-[(2-benzyloxy-5-bromo-phenyl)methyl]thiophene-2-carboxylate CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-thiophenecarboxylic acid ethyl ester; carbamic acid tert-butyl ester IUPAC Name: tert-butyl carbamate; ethyl 5-[(5-bromo-2-phenylmethoxyphenyl)methyl]thiophene-2-carboxylate Traditional Name: 5-(2-benzoxy-5-bromo-benzyl)thiophene-2-carboxylic acid ethyl ester; carbamic acid tert-butyl ester Formula: C26H30BrNO5S MolecularWeight: 548.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3.CC(C)(C)OC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3.CC(C)(C)OC(=O)N

InChI

InChI=1S/C21H19BrO3S.C5H11NO2/c1-2-24-21(23)20-11-9-18(26-20)13-16-12-17(22)8-10-19(16)25-14-15-6-4-3-5-7-15;1-5(2,3)8-4(6)7/h3-12H,2,13-14H2,1H3;1-3H3,(H2,6,7)